N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine

C13H19N3 — CID 168943585

IUPACN-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine
SMILESCCNC(CC)Cc1ncc2ccccn12
InChIInChI=1S/C13H19N3/c1-3-11(14-4-2)9-13-15-10-12-7-5-6-8-16(12)13/h5-8,10-11,14H,3-4,9H2,1-2H3
InChIKeyULCLQVAVYRTFLB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.26
Rot. Bonds5

About N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine

N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine (PubChem CID 168943585) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine
PubChem CID168943585
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine
SMILESCCNC(CC)Cc1ncc2ccccn12
InChIInChI=1S/C13H19N3/c1-3-11(14-4-2)9-13-15-10-12-7-5-6-8-16(12)13/h5-8,10-11,14H,3-4,9H2,1-2H3
InChIKeyULCLQVAVYRTFLB-UHFFFAOYSA-N
XLogP2.26
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine (CID 168943585) is N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine is CCNC(CC)Cc1ncc2ccccn12.
What is the InChIKey of N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine?
The InChIKey is ULCLQVAVYRTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-11(14-4-2)9-13-15-10-12-7-5-6-8-16(12)13/h5-8,10-11,14H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine?
N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-imidazo[1,5-a]pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 168943585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).